2-(1,1-Dioxidotetrahydrothien-3-Yl)-5-Methyl-2,4-Dihydro-3H-Pyrazol-3-One
[CAS# 881-38-9]

Identification

• Name: 2-(1,1-Dioxidotetrahydrothien-3-Yl)-5-Methyl-2,4-Dihydro-3H-Pyrazol-3-One
• Synonyms: 2-[(3R)-1,1-Dioxo-3-Thiolanyl]-5-Methyl-4H-Pyrazol-3-One; 2-[(3R)-1,1-Diketothiolan-3-Yl]-5-Methyl-4H-Pyrazol-3-One; Zinc03886745
• Molecular Formula: C₈H₁₂N₂O₃S
• Molecular Weight: 216.25
• CAS Registry Number: 881-38-9
• SMILES: [C@H]2(N1N=C(CC1=O)C)C[S](=O)(=O)CC2
• InChI: 1S/C8H12N2O3S/c1-6-4-8(11)10(9-6)7-2-3-14(12,13)5-7/h7H,2-5H2,1H3/t7-/m1/s1
• InChIKey: RXNSNOWZALAJQI-SSDOTTSWSA-N

Properties

• Density: 1.584g/cm³ (Cal.)
• Boiling point: 426.194°C at 760 mmHg (Cal.)
• Flash point: 211.555°C (Cal.)